benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate

C15H21NO8 — CID 138620334

IUPACbenzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
SMILESO=C(NC[C@]1(O)[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C15H21NO8/c17-6-10-11(18)12(19)15(22,13(20)24-10)8-16-14(21)23-7-9-4-2-1-3-5-9/h1-5,10-13,17-20,22H,6-8H2,(H,16,21)/t10-,11-,12+,13-,15-/m1/s1
InChIKeyLXJJRARFZNKUBO-ZHZXCYKASA-N
MW343.33 g/mol
LogP-1.92
Rot. Bonds5

About benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate

benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate (PubChem CID 138620334) has the molecular formula C15H21NO8 and a molecular weight of 343.33 g/mol. Its IUPAC name is benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
PubChem CID138620334
Molecular FormulaC15H21NO8
Molecular Weight343.33 g/mol
Exact Mass343.13
IUPAC Namebenzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
SMILESO=C(NC[C@]1(O)[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C15H21NO8/c17-6-10-11(18)12(19)15(22,13(20)24-10)8-16-14(21)23-7-9-4-2-1-3-5-9/h1-5,10-13,17-20,22H,6-8H2,(H,16,21)/t10-,11-,12+,13-,15-/m1/s1
InChIKeyLXJJRARFZNKUBO-ZHZXCYKASA-N
XLogP-1.92
TPSA148.71 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.33
LogP ≤ 5-1.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate with MolForge

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Related Compounds

benzyl N-[4-[(2R,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]butyl]carbamate
CID 66764279
benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 14526378
benzyl N-[3-[[(4S,7R,7aS)-7-hydroxy-6-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]propyl]carbamate
CID 123781771
benzyl N-[7-oxo-7-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]heptyl]carbamate
CID 22812663
benzyl N-[7-oxo-7-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]heptyl]carbamate
CID 22812665
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[3-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-oxopropyl]carbamate
CID 44605486
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
benzyl N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]carbamate
CID 67703192
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate (CID 138620334) is benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate is O=C(NC[C@]1(O)[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate?
The InChIKey is LXJJRARFZNKUBO-ZHZXCYKASA-N. The full InChI is InChI=1S/C15H21NO8/c17-6-10-11(18)12(19)15(22,13(20)24-10)8-16-14(21)23-7-9-4-2-1-3-5-9/h1-5,10-13,17-20,22H,6-8H2,(H,16,21)/t10-,11-,12+,13-,15-/m1/s1.
What are the key properties of benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate?
benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate has a molecular weight of 343.33 g/mol, XLogP of -1.92, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate is sourced from PubChem (CID 138620334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).